2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate
TL;DR: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate (CAS 2252-62-2) is a chemical compound with molecular formula C15H9F15O3S and molecular weight 554.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 4-methylbenzenesulfonate
Also Known As: 1h,1h-perfluorooctyl p-toluenesulfonate, 1H,1H-Pentadecafluorooctyl tosylate, 1H,1H-PERFLUOROOCTYLP-TOLUENESULFONATE, 1H,1H-Perfluorooctyl 4-toluenesulphonate, 4-(trifluoromethyl)phenyl dimethyl carbinol
| Molecular Formula | C15H9F15O3S |
|---|---|
| Molecular Weight | 554.00 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 554.0033 |
| Heavy Atoms | 34 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 2252-62-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | OTZYGTLBGUNRBX-UHFFFAOYSA-N |
Product Overview
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate (CAS 2252-62-2), with molecular formula C15H9F15O3S and molecular weight 554.00 g/mol. IUPAC: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate
Property Insights of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate
The XLogP value of 6.7 indicates that 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate?
The CAS number of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate is 2252-62-2.
What is the molecular formula of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate?
The molecular formula of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate is C15H9F15O3S.
What is the molecular weight of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate?
The molecular weight of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate is 554.00 g/mol.
Where can I buy 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate?
You can request a quote for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.